ethyl (1R,2R,3S,4R)-1-ethanoyl-4-methyl-3-nitro-2-(2-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2R,3S,4R)-1-ethanoyl-4-methyl-3-nitro-2-(2-nitrophenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-(2-nitrophenyl)cyclohexanecarboxylate CAS Name: (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-(2-nitrophenyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-(2-nitrophenyl)cyclohexane-1-carboxylate Traditional Name: (1R,2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-3-nitro-2-(2-nitrophenyl)cyclohexanecarboxylic acid ethyl ester Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-])(C)O)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@]1(CC[C@@]([C@H]([C@@H]1C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-])(C)O)C(=O)C

InChI

InChI=1S/C18H22N2O8/c1-4-28-16(22)18(11(2)21)10-9-17(3,23)15(20(26)27)14(18)12-7-5-6-8-13(12)19(24)25/h5-8,14-15,23H,4,9-10H2,1-3H3/t14-,15-,17+,18-/m0/s1